General Information of the Compound
| Compound ID |
CP0114903
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| Compound Name |
methyl 3-[[2-(4-pentylphenoxy)acetyl]amino]benzoate
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| Structure |
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| Formula |
C21H25NO4
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| Molecular Weight |
355.434
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| Canonical SMILES |
CCCCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1
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| InChI |
InChI=1S/C21H25NO4/c1-3-4-5-7-16-10-12-19(13-11-16)26-15-20(23)22-18-9-6-8-17(14-18)21(24)25-2/h6,8-14H,3-5,7,15H2,1-2H3,(H,22,23)
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| InChIKey |
HDBDOZJTIIABKV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound